Artículos de revistas sobre el tema "DOCKING SCORE"
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Kumar, Harsh, Aastha Sharma, Davinder Kumar, Minakshi Gupta Marwaha y Rakesh Kumar Marwaha. "3-(Substituted Aryl/alkyl)-5-((E)-4-((E)-(Substituted Aryl/alkyl)methyl)benzylidene) thiazolidin-2,4-dione Molecules: Design, ADME Studies and Molecular Docking Analysis as Potential Antimicrobial and Antiproliferative Agents". Asian Journal of Chemistry 34, n.º 9 (2022): 2393–405. http://dx.doi.org/10.14233/ajchem.2022.23927.
Texto completoChoi, Jieun y Juyong Lee. "V-Dock: Fast Generation of Novel Drug-like Molecules Using Machine-Learning-Based Docking Score and Molecular Optimization". International Journal of Molecular Sciences 22, n.º 21 (27 de octubre de 2021): 11635. http://dx.doi.org/10.3390/ijms222111635.
Texto completoPamungkas, Tri Setyo y Rosario Trijuliamos Manalu. "STUDI IN SILICO SENYAWA AKTIF ASAM JAWA (Tamarindus indica L.) SEBAGAI ANTIDIABETES MELALUI INHIBISI PROTEIN TYROSINE PHOSPHATASE". Jurnal Ilmiah Ibnu Sina (JIIS): Ilmu Farmasi dan Kesehatan 8, n.º 1 (31 de marzo de 2023): 134–44. http://dx.doi.org/10.36387/jiis.v8i1.1282.
Texto completoPratama, Mohammad Rizki Fadhil, Hadi Poerwono y Siswandono Siswodihardjo. "Introducing a two‐dimensional graph of docking score difference vs. similarity of ligand‐receptor interactions". Indonesian Journal of Biotechnology 26, n.º 1 (30 de marzo de 2021): 54. http://dx.doi.org/10.22146/ijbiotech.62194.
Texto completoRizma, Baiq Ressa Puspita, Yek Zen Mubarok, Dian Fathita Dwi Lestari y Agus Dwi Ananto. "Molecular Study of Antiviral Compound of Indonesian Herbal Medicine as 3CLpro and PLpro Inhibitor in SARS-COV-2". Acta Chimica Asiana 4, n.º 2 (29 de octubre de 2021): 127–34. http://dx.doi.org/10.29303/aca.v4i2.74.
Texto completoMateev, Emilio Viktorov, Iva Valkova, Maya Georgieva y Alexander Zlatkov. "Suitable Docking Protocol for the Design of Novel Coumarin Derivatives with Selective MAO-B Effects". Journal of Molecular Docking 1, n.º 1 (30 de junio de 2021): 40–47. http://dx.doi.org/10.33084/jmd.v1i1.2357.
Texto completoBajusz, Dávid, Anita Rácz y Károly Héberger. "Comparison of Data Fusion Methods as Consensus Scores for Ensemble Docking". Molecules 24, n.º 15 (24 de julio de 2019): 2690. http://dx.doi.org/10.3390/molecules24152690.
Texto completoScobie, D. R., D. O'Connell, C. A. Morris y S. M. Hickey. "A preliminary genetic analysis of breech and tail traits with the aim of improving the welfare of sheep". Australian Journal of Agricultural Research 58, n.º 2 (2007): 161. http://dx.doi.org/10.1071/ar05444.
Texto completoFeher, Miklos y Christopher I. Williams. "Reducing Docking Score Variations Arising from Input Differences". Journal of Chemical Information and Modeling 50, n.º 9 (10 de agosto de 2010): 1549–60. http://dx.doi.org/10.1021/ci100204x.
Texto completoBatool, Majda, Affifa Tajammal, Firdous Farhat, Francis Verpoort, Zafar Khattak, Mehr-un-Nisa, Muhammad Shahid et al. "Molecular Docking, Computational, and Antithrombotic Studies of Novel 1,3,4-Oxadiazole Derivatives". International Journal of Molecular Sciences 19, n.º 11 (15 de noviembre de 2018): 3606. http://dx.doi.org/10.3390/ijms19113606.
Texto completoSteinmann, Casper y Jan H. Jensen. "Using a genetic algorithm to find molecules with good docking scores". PeerJ Physical Chemistry 3 (17 de mayo de 2021): e18. http://dx.doi.org/10.7717/peerj-pchem.18.
Texto completoStefaniu, Amalia, Lucia Pintilie, Veronica Anastasoaie y Eleonora-Mihaela Ungureanu. "In silico Evaluation of Antimicrobial Activity of Some Thiadiazoles Using Molecular Docking Approach". Chemistry Proceedings 3, n.º 1 (14 de noviembre de 2020): 116. http://dx.doi.org/10.3390/ecsoc-24-08319.
Texto completoRizma, Baiq Ressa Puspita, Agus Dwi Ananto y Anggit Listyacahyani Sunarwidhi. "The Study of Potential Antiviral Compounds from Indonesian Medicinal Plants as Anti-COVID-19 with Molecular Docking Approach". Journal of Molecular Docking 1, n.º 1 (30 de junio de 2021): 32–39. http://dx.doi.org/10.33084/jmd.v1i1.2307.
Texto completoKolageri, Shivanand, Siddaling Kamble, Viswanath S, Meganathan G, Khursid Alom y Rajasekaran S. "Molecular Docking Study of Novel Nitrofuran Derivatives As Urinary Tract Anti Infectives". Asian Journal of Pharmaceutical Research and Development 10, n.º 5 (14 de octubre de 2022): 38–44. http://dx.doi.org/10.22270/ajprd.v10i5.1178.
Texto completoKim, Stephanie S., Melanie L. Aprahamian y Steffen Lindert. "Improving inverse docking target identification with Z ‐score selection". Chemical Biology & Drug Design 93, n.º 6 (2 de enero de 2019): 1105–16. http://dx.doi.org/10.1111/cbdd.13453.
Texto completoXu, Siqi, Li Wang y Xianchao Pan. "An evaluation of combined strategies for improving the performance of molecular docking". Journal of Bioinformatics and Computational Biology 19, n.º 02 (27 de febrero de 2021): 2150003. http://dx.doi.org/10.1142/s0219720021500037.
Texto completoYadav, Reena y Jitender K. Malik. "In –Silico Approach for Assessment of Antimicrobial Potential of some Pyrazolidine-3, 5-Dione Derivatives". Global Academic Journal of Pharmacy and Drug Research 4, n.º 3 (16 de julio de 2022): 51–58. http://dx.doi.org/10.36348/gajpdr.2022.v04i03.001.
Texto completoMali, Pooja, Shourya Pratap, Raghvendra S. Badhauria y Himanshu Gurjar. "DOCKING STUDIES OF AMINOHYDANTOIN DERIVATIVES AS ANTIMALARIAL AGENTS". Journal of Drug Delivery and Therapeutics 8, n.º 5-s (1 de octubre de 2018): 322–26. http://dx.doi.org/10.22270/jddt.v8i5-s.1983.
Texto completoVerma, Mohit, Preeti Jyoti, Devkant Sharma y Anurag Bhargava. "Docking Studies of Histone Deacetylases Inhibitors". Asian Pacific Journal of Health Sciences 9, n.º 4 (20 de junio de 2022): 13–18. http://dx.doi.org/10.21276/apjhs.2022.9.4.03.
Texto completoKhanal, Pukar, B. M. Patil, Jagdish Chand y Yasmin Naaz. "Anthraquinone Derivatives as an Immune Booster and their Therapeutic Option Against COVID-19". Natural Products and Bioprospecting 10, n.º 5 (8 de agosto de 2020): 325–35. http://dx.doi.org/10.1007/s13659-020-00260-2.
Texto completoNabil-Adam, Asmaa, Mohamed L. Ashour, Tamer M. Tamer, Mohamed A. Shreadah y Mohamed A. Hassan. "Interaction of Jania rubens Polyphenolic Extract as an Antidiabetic Agent with α-Amylase, Lipase, and Trypsin: In Vitro Evaluations and In Silico Studies". Catalysts 13, n.º 2 (18 de febrero de 2023): 443. http://dx.doi.org/10.3390/catal13020443.
Texto completoRizqillah, Raihan Kenji, Jaka Fajar Fatriansyah, Fadilah, Sulhadi, Siti Wahyuni, Muhammad Arif Sudirman, Helya Chafshoh Nafisah y Sukma Dewi Lestari. "In silico molecular docking and molecular dynamics examination of Andrographis paniculata compounds of Andrographolide, Neoandrographolide, and 5-hydroxy-7,8,2’,3’-tetramethoxyflavone inhibition activity to SARS-CoV-2 main protease". BIO Web of Conferences 41 (2021): 07002. http://dx.doi.org/10.1051/bioconf/20214107002.
Texto completoRaj, Priya Durai, Palagati Rohith Kumar Reddy, Palaniyandi Thiruvanavukkarasu, Sindhu Rajesh y Rajeswary Hari. "Anticancer Activity of Phyto Ligands from Carica papaya Leaves by Suppression of PI3CKA and BCL2 Proteins- An insilico Approach". Biomedical and Pharmacology Journal 15, n.º 3 (29 de septiembre de 2022): 1289–98. http://dx.doi.org/10.13005/bpj/2466.
Texto completoEjaz, Saima, Rehan Zafar Paracha, Sadaf Ejaz y Zunera Jamal. "Antibody designing against IIIabc junction (JIIIabc) of HCV IRES through affinity maturation; RNA-Antibody docking and interaction analysis". PLOS ONE 18, n.º 9 (8 de septiembre de 2023): e0291213. http://dx.doi.org/10.1371/journal.pone.0291213.
Texto completoSaputri, Dwi, Triana Kusumaningtyas, Prismo Setiadi y Rifki Febriansah. "Investigation of Moringa Leaf Compounds as Colon Anticancer Agents Using Bioinformatics and Molecular Docking Methods". Proceedings University of Muhammadiyah Yogyakarta Undergraduate Conference 2, n.º 2 (30 de junio de 2022): 24–27. http://dx.doi.org/10.18196/umygrace.v2i2.421.
Texto completoKumari, Uma y Kartik Tripathi. "Computational Analysis and Molecular Docking Approach for Liver Cancer". International Journal for Research in Applied Science and Engineering Technology 11, n.º 7 (31 de julio de 2023): 1628–33. http://dx.doi.org/10.22214/ijraset.2023.54927.
Texto completoSantoso, Broto. "EXPLORING 3D MOLECULAR STUDIES OF DIKETOPIPERAZINE ANALOGUES ON Staphylococcus aureus DEHYDROSQUALENE SYNTHASE USING GLIDE-XP". Pharmacon: Jurnal Farmasi Indonesia 13, n.º 2 (1 de diciembre de 2012): 77–86. http://dx.doi.org/10.23917/pharmacon.v13i2.14.
Texto completoRabar, Denis, Danijela Rabar y Duško Pavletić. "Two-Step Manufacturing Process Measurement Model Using Qualitative and Quantitative Data—A Case of Newbuilding Dry-Docking". Journal of Marine Science and Engineering 9, n.º 5 (25 de abril de 2021): 464. http://dx.doi.org/10.3390/jmse9050464.
Texto completoZeb, Muhammad Aurang, Taj Ur Rahman, Muhammad Sajid, Weilie Xiao, Syed Ghulam Musharraf, Shabana Bibi, Takashiro Akitsu y Wajiha Liaqat. "GC-MS Analysis and In Silico Approaches of Indigofera heterantha Root Oil Chemical Constituents". Compounds 1, n.º 3 (28 de septiembre de 2021): 116–24. http://dx.doi.org/10.3390/compounds1030010.
Texto completoKarnan, R., M. Sukumaran y S. Velavan. "Correlation between Molecular Docking Score and Ligand Molar Mass: Statistical Approach". UTTAR PRADESH JOURNAL OF ZOOLOGY 44, n.º 19 (2 de septiembre de 2023): 98–105. http://dx.doi.org/10.56557/upjoz/2023/v44i193623.
Texto completoNguyen, Duc Duy y Guo-Wei Wei. "AGL-Score: Algebraic Graph Learning Score for Protein–Ligand Binding Scoring, Ranking, Docking, and Screening". Journal of Chemical Information and Modeling 59, n.º 7 (18 de junio de 2019): 3291–304. http://dx.doi.org/10.1021/acs.jcim.9b00334.
Texto completoBreda, Ardala, Luiz Basso, Diogenes Santos y Walter de Azevedo Jr. "Virtual Screening of Drugs: Score Functions, Docking, and Drug Design". Current Computer Aided-Drug Design 4, n.º 4 (1 de diciembre de 2008): 265–72. http://dx.doi.org/10.2174/157340908786786047.
Texto completoFukunishi, Yoshifumi, Satoshi Yamasaki, Isao Yasumatsu, Koh Takeuchi, Takashi Kurosawa y Haruki Nakamura. "Quantitative Structure-activity Relationship (QSAR) Models for Docking Score Correction". Molecular Informatics 36, n.º 1-2 (29 de abril de 2016): 1600013. http://dx.doi.org/10.1002/minf.201600013.
Texto completoMaurya, Anil y Jitender K. Malik. "Anti-Inflammatory Potential and Underlying Mechanistic of Phenolic Component from Ziziphus jujuba Fruit: A Molecular Docking Validation". EAS Journal of Pharmacy and Pharmacology 5, n.º 03 (11 de mayo de 2023): 43–48. http://dx.doi.org/10.36349/easjpp.2023.v05i03.001.
Texto completoMourya, Brijendra y Niyati Shrivastava. "Mechanistic Insights an Anti-Inflammatory Potential of Quercetin by Molecular Docking". Global Academic Journal of Pharmacy and Drug Research 4, n.º 3 (30 de julio de 2022): 59–65. http://dx.doi.org/10.36348/gajpdr.2022.v04i03.002.
Texto completoLateef, Tooba, Sadaf Naeem y Shamim A. Qureshi. "In-silico studies of HMG-Co A reductase inhibitors present in fruits of Withania coagulans Dunal (Solanaceae)". Tropical Journal of Pharmaceutical Research 19, n.º 2 (9 de abril de 2020): 305–12. http://dx.doi.org/10.4314/tjpr.v19i2.13.
Texto completoHadi, Samsul, Amalia Khairunnisa, Sefa Nur Khalifah, Sintya Oktaviani, Sri Oktaviana Sari y Umi Nur Hapifah. "Skrining Inhibitor NF-κB Combretum indicum dengan Metode Docking". Pharmacon: Jurnal Farmasi Indonesia 18, n.º 2 (31 de diciembre de 2021): 157–63. http://dx.doi.org/10.23917/pharmacon.v18i2.15780.
Texto completoTom, E. M., J. Rushen, I. J. H. Duncan y A. M. de Passillé. "Behavioural, health and cortisol responses of young calves to tail docking using a rubber ring or docking iron". Canadian Journal of Animal Science 82, n.º 1 (1 de marzo de 2002): 1–9. http://dx.doi.org/10.4141/a01-053.
Texto completoRetna, A. Malar, P. Ethalsha y J. Lydia. "DOCKING SCORE OF THE ISOLATED COMPOUND: 19-HYDROXY LOCHNERICINE - WITH DIFFERENT PROTEINS". Green Chemistry & Technology Letters 2, n.º 1 (10 de marzo de 2016): 31–34. http://dx.doi.org/10.18510/gctl.2015.216.
Texto completoArner, Justin W., Edward S. Chang, Stephen Bayer y James P. Bradley. "Direct Comparison of Modified Jobe and Docking Ulnar Collateral Ligament Reconstruction at Midterm Follow-up". American Journal of Sports Medicine 47, n.º 1 (30 de noviembre de 2018): 144–50. http://dx.doi.org/10.1177/0363546518812421.
Texto completoKolageri, Shivanand, Hemanth S y Mahesh Parit. "In-silico ADME prediction and molecular docking study of novel benzimidazole-1,3,4-oxadiazole derivatives as CYP51 inhibitors for antimicrobial activity". Journal of Applied Pharmaceutical Research 10, n.º 3 (30 de septiembre de 2022): 18–27. http://dx.doi.org/10.18231/j.joapr.2022.10.3.28.38.
Texto completoKumar, Arvind, Rishu Yadav, Preeti Avasthi y Shivani Thakur. "Ameliorative Role of In-Silico Study in Phytoconstituents of Cordyceps Used for PCOS". YMER Digital 21, n.º 07 (29 de julio de 2022): 1225–39. http://dx.doi.org/10.37896/ymer21.07/a2.
Texto completoShukla, Karuna S., Shailendra Pandey y A. Pooja Chawla. "SYNTHESIS, BIOLOGICAL EVALUATION AND DOCKING STUDIES OF NON HEPATOTOXIC 5-SUBSTITUTED THIAZOLIDINE-2, 4-DIONES AS ANTIDIABETIC, ANTI-HYPERLIPIDEMIC, ANTI-OXIDANT AND CYTOTOXIC AGENTS". INDIAN DRUGS 57, n.º 09 (5 de noviembre de 2020): 19–37. http://dx.doi.org/10.53879/id.57.09.12186.
Texto completoVidhya Rekha, Umapathy. "Molecular docking analysis of bioactive compounds from Plectranthus amboinicus with glucokinase". Bioinformation 18, n.º 3 (31 de marzo de 2022): 261–64. http://dx.doi.org/10.6026/97320630018261.
Texto completoRajendran, Sudha, Nithya G, Brindha Devi P y Charles C. Kanakam. "DOCKING ANTIOXIDANT ACTIVITY ON HYDROXY (DIPHENYL) ACETICACID AND ITS DERIVATIVES". Asian Journal of Pharmaceutical and Clinical Research 10, n.º 7 (1 de julio de 2017): 263. http://dx.doi.org/10.22159/ajpcr.2017.v10i7.18299.
Texto completoBano, Shayara y Jitender K. Malik. "Chlorogenic Acid a Potent Anti-inflammatory Agent: In-Silico Molecular Docking approach". Middle East Research Journal of Pharmaceutical Sciences 2, n.º 1 (27 de diciembre de 2021): 10–20. http://dx.doi.org/10.36348/merjps.2022.v02i01.002.
Texto completoShakeel, Areeba y Bashah Javed. "Plant-derived antiviral compounds study for drug designing against replicase polyprotein1ab of SARS-COV2: silico- approach". Science Progress and Research 2, n.º 1 (10 de enero de 2022): 392–401. http://dx.doi.org/10.52152/spr/2022.167.
Texto completoThakur, Monica, Hyacinth Highland y Linz-Buoy George. "IN SILICO EVIDENCE OF THE EFFICACY OF PHYTOCOMPONENTS AS COMPETITIVE INHIBITORS AGAINST A TOBACCO SMOKE CARCINOGEN IN NON-SMALL CELL LUNG CANCER". International Association of Biologicals and Computational Digest 1, n.º 2 (5 de octubre de 2022): 69–74. http://dx.doi.org/10.56588/iabcd.v1i2.46.
Texto completoMustafa, Ghulam, Hafiza Salaha Mahrosh, Mahwish Salman, Sumaira Sharif, Raheela Jabeen, Tanveer Majeed y Hafsah Tahir. "Identification of Peptides as Novel Inhibitors to Target IFN-γ, IL-3, and TNF-α in Systemic Lupus Erythematosus". BioMed Research International 2021 (13 de noviembre de 2021): 1–11. http://dx.doi.org/10.1155/2021/1124055.
Texto completoYadav, Manisha, Swasti Dhagat y Jujjavarapu S. Eswari. "Structure Based Drug Design and Molecular Docking Studies of Anticancer Molecules Paclitaxel, Etoposide and Topotecan using Novel Ligands". Current Drug Discovery Technologies 17, n.º 2 (19 de junio de 2020): 183–90. http://dx.doi.org/10.2174/1570163816666190307102033.
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